SCHEMBL29695588

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	7/20	0.54

▸	IL23R	Q5VWK5	1/20	0.54

▸	C5AR1	P21730	1/20	0.53

▸	KEAP1	Q14145	1/20	0.50

▸	EPHA2	P29317	1/20	0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL29500565	1.00	OPRD1 (0.54)	OPRD1IL23RC5AR1KEAP1EPHA2
SCHEMBL29403705	0.97	IL23R (0.55)	OPRD1IL23RC5AR1EPHA2
SCHEMBL6889227	0.95	OPRD1 (0.54)	OPRD1IL23RC5AR1
SCHEMBL6889257	0.95	OPRD1 (0.54)	OPRD1IL23RC5AR1
SCHEMBL31078160	0.93	OPRD1 (0.54)	OPRD1IL23RC5AR1KEAP1
SCHEMBL30483821	0.93	OPRD1 (0.54)	OPRD1IL23RC5AR1KEAP1
SCHEMBL29583466	0.92	OPRD1 (0.64)	OPRD1
SCHEMBL30483833	0.91	OPRD1 (0.52)	OPRD1C5AR1KEAP1EPHA2
SCHEMBL30605203	0.89	OPRD1 (0.52)	OPRD1IL23RC5AR1
SCHEMBL31267098	0.88	EPHA2 (0.53)	OPRD1IL23REPHA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114786654-A	Compositions and methods for systemic delivery of Bcl-2 and Bcl-xL antagonists	密执安大学评议会	2022-07-22	—	—	CN	disclosed